(2R)-N-cyclopropyl-N-[(1R)-1-[6-methoxy-4-[3-(methoxyamino)propyl]quinolin-2-yl]ethyl]morpholine-2-carboxamide

C24H34N4O4 — CID 90065007

IUPAC(2R)-N-cyclopropyl-N-[(1R)-1-[6-methoxy-4-[3-(methoxyamino)propyl]quinolin-2-yl]ethyl]morpholine-2-carboxamide
SMILESCONCCCc1cc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)nc2ccc(OC)cc12
InChIInChI=1S/C24H34N4O4/c1-16(28(18-6-7-18)24(29)23-15-25-11-12-32-23)22-13-17(5-4-10-26-31-3)20-14-19(30-2)8-9-21(20)27-22/h8-9,13-14,16,18,23,25-26H,4-7,10-12,15H2,1-3H3/t16-,23-/m1/s1
InChIKeyCVFYETLEZSZYFV-WAIKUNEKSA-N
MW442.56 g/mol
LogP2.37
Rot. Bonds10

About (2R)-N-cyclopropyl-N-[(1R)-1-[6-methoxy-4-[3-(methoxyamino)propyl]quinolin-2-yl]ethyl]morpholine-2-carboxamide

(2R)-N-cyclopropyl-N-[(1R)-1-[6-methoxy-4-[3-(methoxyamino)propyl]quinolin-2-yl]ethyl]morpholine-2-carboxamide (PubChem CID 90065007) has the molecular formula C24H34N4O4 and a molecular weight of 442.56 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-N-[(1R)-1-[6-methoxy-4-[3-(methoxyamino)propyl]quinolin-2-yl]ethyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-N-[(1R)-1-[6-methoxy-4-[3-(methoxyamino)propyl]quinolin-2-yl]ethyl]morpholine-2-carboxamide
PubChem CID90065007
Molecular FormulaC24H34N4O4
Molecular Weight442.56 g/mol
Exact Mass442.26
IUPAC Name(2R)-N-cyclopropyl-N-[(1R)-1-[6-methoxy-4-[3-(methoxyamino)propyl]quinolin-2-yl]ethyl]morpholine-2-carboxamide
SMILESCONCCCc1cc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)nc2ccc(OC)cc12
InChIInChI=1S/C24H34N4O4/c1-16(28(18-6-7-18)24(29)23-15-25-11-12-32-23)22-13-17(5-4-10-26-31-3)20-14-19(30-2)8-9-21(20)27-22/h8-9,13-14,16,18,23,25-26H,4-7,10-12,15H2,1-3H3/t16-,23-/m1/s1
InChIKeyCVFYETLEZSZYFV-WAIKUNEKSA-N
XLogP2.37
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R)-N-cyclopropyl-N-[(1R)-1-[6-methoxy-4-[3-(methoxyamino)propyl]quinolin-2-yl]ethyl]morpholine-2-carboxamide with MolForge

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Related Compounds

methyl N-[3-[4-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-6-methoxypyrimidin-2-yl]propyl]carbamate
CID 118313239
(2R)-N-[(1R)-1-[1,3-bis(3-methoxypropyl)pyrrolo[3,2-c]pyridin-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide
CID 90065180
(2R)-N-cyclopropyl-N-[(1R)-1-[3-(3-methoxypropyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]ethyl]morpholine-2-carboxamide
CID 90065226
methyl N-[3-[6-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-3-[(3S)-oxolan-3-yl]oxypyrazin-2-yl]propyl]carbamate
CID 118313840
(2R)-N-[(1R)-1-(1-benzyl-4-ethylpyrrolo[3,2-c]pyridin-6-yl)ethyl]-N-cyclopropylmorpholine-2-carboxamide
CID 118313130
(2R)-N-cyclopropyl-N-[(1R)-1-[4-[2-(hydroxyamino)ethoxy]-5,6,7,8-tetrahydroquinolin-2-yl]ethyl]morpholine-2-carboxamide
CID 118457699
(2R)-N-cyclopropyl-N-[(1R)-1-[5-(2-fluorophenyl)-4-[3-(hydroxyamino)propyl]thiophen-2-yl]ethyl]morpholine-2-carboxamide
CID 90065178
methyl N-[3-[4-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-2-(4-methylphenyl)imidazol-1-yl]propyl]carbamate
CID 118313141
methyl N-[3-[2-(4-chlorophenyl)-4-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]imidazol-1-yl]propyl]carbamate
CID 118313147
(2R)-N-cyclopropyl-N-[(1R)-1-[3-(3-methoxypropoxy)-4-methylphenyl]ethyl]morpholine-2-carboxamide
CID 66551637
methyl N-[2-[3-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-5-methoxyphenoxy]ethyl]carbamate
CID 118313716
(2R)-N-cyclopropyl-N-[(1R)-1-[6-ethyl-5-(4-methoxybutyl)-3-pyridinyl]ethyl]morpholine-2-carboxamide
CID 118313115

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-N-[(1R)-1-[6-methoxy-4-[3-(methoxyamino)propyl]quinolin-2-yl]ethyl]morpholine-2-carboxamide?
The IUPAC name of (2R)-N-cyclopropyl-N-[(1R)-1-[6-methoxy-4-[3-(methoxyamino)propyl]quinolin-2-yl]ethyl]morpholine-2-carboxamide (CID 90065007) is (2R)-N-cyclopropyl-N-[(1R)-1-[6-methoxy-4-[3-(methoxyamino)propyl]quinolin-2-yl]ethyl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-cyclopropyl-N-[(1R)-1-[6-methoxy-4-[3-(methoxyamino)propyl]quinolin-2-yl]ethyl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-N-cyclopropyl-N-[(1R)-1-[6-methoxy-4-[3-(methoxyamino)propyl]quinolin-2-yl]ethyl]morpholine-2-carboxamide is CONCCCc1cc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)nc2ccc(OC)cc12.
What is the InChIKey of (2R)-N-cyclopropyl-N-[(1R)-1-[6-methoxy-4-[3-(methoxyamino)propyl]quinolin-2-yl]ethyl]morpholine-2-carboxamide?
The InChIKey is CVFYETLEZSZYFV-WAIKUNEKSA-N. The full InChI is InChI=1S/C24H34N4O4/c1-16(28(18-6-7-18)24(29)23-15-25-11-12-32-23)22-13-17(5-4-10-26-31-3)20-14-19(30-2)8-9-21(20)27-22/h8-9,13-14,16,18,23,25-26H,4-7,10-12,15H2,1-3H3/t16-,23-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-N-[(1R)-1-[6-methoxy-4-[3-(methoxyamino)propyl]quinolin-2-yl]ethyl]morpholine-2-carboxamide?
(2R)-N-cyclopropyl-N-[(1R)-1-[6-methoxy-4-[3-(methoxyamino)propyl]quinolin-2-yl]ethyl]morpholine-2-carboxamide has a molecular weight of 442.56 g/mol, XLogP of 2.37, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-N-[(1R)-1-[6-methoxy-4-[3-(methoxyamino)propyl]quinolin-2-yl]ethyl]morpholine-2-carboxamide is sourced from PubChem (CID 90065007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).